2-(3-fluoranyl-4-octyl-phenyl)-5-(4-hexylcyclohexyl)pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-octyl-phenyl)-5-(4-hexylcyclohexyl)pyrimidine Openeye Name: 2-(3-fluoro-4-octyl-phenyl)-5-(4-hexylcyclohexyl)pyrimidine CAS Name: 2-(3-fluoro-4-octylphenyl)-5-(4-hexylcyclohexyl)pyrimidine IUPAC Name: 2-(3-fluoro-4-octylphenyl)-5-(4-hexylcyclohexyl)pyrimidine Traditional Name: 2-(3-fluoro-4-octyl-phenyl)-5-(4-hexylcyclohexyl)pyrimidine Formula: C30H45FN2 MolecularWeight: 452.690103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)C3CCC(CC3)CCCCCC)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)C3CCC(CC3)CCCCCC)F

InChI

InChI=1S/C30H45FN2/c1-3-5-7-9-10-12-14-26-19-20-27(21-29(26)31)30-32-22-28(23-33-30)25-17-15-24(16-18-25)13-11-8-6-4-2/h19-25H,3-18H2,1-2H3